UCSF

ZINC26513293

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.12 3.42 -37.22 3 4 1 55 229.344 6
Hi High (pH 8-9.5) 1.12 2.07 -9.93 2 4 0 50 228.336 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )